Crystal structures of 8-Cl and 9-Cl TIBO complexed with Tyr181Cys HIV-1 RT drug-resistant mutant

Autor: Das, K., Ding, J.P., Hsiou, Y., Clark, A.D., Moereels, H., Koymans, L., Andries, Koen, Pauwels, R., Janssen, P.A.J., Boyer, P.L., Clark, P., Smith, R.H., Smith, M.B.K., Michejda, C.J., Hughes, S.H., Arnold, E.

Publikováno v: Journal of molecular biology

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od______2097::5e98495f717c5c35cc9420e9bf05b1ce
https://hdl.handle.net/10067/464360151162165141

Mechanisms of activation of phenacetin to reactive metabolites by cytochrome P-450: a theoretical study involving radical intermediates

Autor: Koymans, L., Lenthe, J.H., Donné-op Den Kelder, G M, Vermeulen, N P

Publikováno v: Molecular Pharmacology, 37(3), 452-60. American Society for Pharmacology and Experimental Therapeutics
Koymans, L, Lenthe, J H, Donné-op Den Kelder, G M & Vermeulen, N P 1990, ' Mechanisms of activation of phenacetin to reactive metabolites by cytochrome P-450 : a theoretical study involving radical intermediates ', Molecular Pharmacology, vol. 37, no. 3, pp. 452-60 .

The cytochrome P-450-mediated activation of phenacetin (PHEN) to reactive intermediates by two hypothetical mechanisms has been studied by use of SV 6-31G ab initio energy and spin distribution calculations. In our calculations, the cytochrome P-450

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::f5224b79e9c59ff440ce06f805f30c46
https://research.vu.nl/en/publications/39c9a5ea-71ad-46fd-a7f4-c10988ac96b0

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Inhibition and substrate recognition – a computational approach applied to HIV protease.

Autor: Vinkers, H. M., de Jonge, M. R., Daeyaert, F. D., Heeres, J., Koymans, L. M. H., van Lenthe, J. H., Lewi, P. J., Timmerman, H., Janssen, P. A. J.

Publikováno v: Journal of Computer-Aided Molecular Design; Sep2003, Vol. 17 Issue 9, p567-581, 15p

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